Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLSKKSEYKTLSTVEHPQYIVFCDFDETYFPHTIDEQKQQDIYELEDYLEQKSKDGELIIGWVTGSSIESILDKMGRGKFRYFPHFIASDLGTEITYFSEHNFGQQDNKWNSRINEGFSKEKVEKLVKQLHENHNILLNPQTQLGKSRYKHNFYYQEQ--DEINDKKNLLAIEKICEEYGVSVNINRCNPLAGDPEDSYDVDFIPIGTGKNEIVTFMLEKYNLNTERAIAFGDSGNDVRMLQTVGNGYLLKNATQEAKNLHNLITDSEYSKGITNTLKKLIGS 2B1R Chain:A ((3-225)) ------------------QLLLISDLDNTWV------GDQQALEHLQEYL--GDRRGNFYLAYATGRSYHSA-RELQKQVGLMEPDYWLTAVGSEI-YHPE----GLDQHWADYLSEHWQRDILQAIADGFEA-----LKPQSPLEQNPWKISYHLDPQACPTVIDQ-----LTEMLKETGIPVQVIFSS--------GKDVDLLPQRSNKGNATQYLQQHLAMEPSQTLVCGDSGNDIGLFETSARGVIVRNAQPELLHWYDQWGDSRHYRA-----------

General information: TITO was launched using: RESULT: Template: 2B1R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1147 -70032 -61.06 -316.89 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -61.06 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_2B1R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B1R-query.scw PDB file : Tito_Scwrl_2B1R.pdb: